| SpectraBase Compound ID | AEnNQk4boyG |
|---|---|
| InChI | InChI=1S/C13H20O/c1-11(2)8-9-14-10-13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3 |
| InChIKey | XPKWKRIVFZNOLI-UHFFFAOYSA-N |
| Mol Weight | 192.3 g/mol |
| Molecular Formula | C13H20O |
| Exact Mass | 192.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7cDXIMp5Xh9 |
|---|---|
| Name | (4-Methylphenyl) methanol, 3-methylbutyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.151415263 u |
| Formula | C13H20O |
| InChI | InChI=1S/C13H20O/c1-11(2)8-9-14-10-13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3 |
| InChIKey | XPKWKRIVFZNOLI-UHFFFAOYSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | C1=CC(=CC=C1COCCC(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9335 |